CID 350259

5-nitro-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C3H2N2O3S
SMILES
C1=C(SC(=O)N1)[N+](=O)[O-]
InChI
InChI=1S/C3H2N2O3S/c6-3-4-1-2(9-3)5(7)8/h1H,(H,4,6)
InChIKey
YZFUZYHYTMCBDT-UHFFFAOYSA-N
Compound name
5-nitro-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

145.9786 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.98588 122.3
[M+Na]+ 168.96782 131.7
[M-H]- 144.97132 124.4
[M+NH4]+ 164.01242 143.1
[M+K]+ 184.94176 125.5
[M+H-H2O]+ 128.97586 121.5
[M+HCOO]- 190.97680 142.9
[M+CH3COO]- 204.99245 160.4
[M+Na-2H]- 166.95327 128.1
[M]+ 145.97805 120.8
[M]- 145.97915 120.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe